N-(2-ethyl-6-methyl-phenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-butanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-butanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-butanamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[[3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]butanamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylbutanamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[[3-[[(E)-3-phenylacryloyl]amino]phenyl]thio]butyramide Formula: C28H30N2O2S MolecularWeight: 458.615

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)C=CC3=CC=CC=C3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)/C=C/C3=CC=CC=C3)C

InChI

InChI=1S/C28H30N2O2S/c1-4-22-14-9-11-20(3)27(22)30-28(32)25(5-2)33-24-16-10-15-23(19-24)29-26(31)18-17-21-12-7-6-8-13-21/h6-19,25H,4-5H2,1-3H3,(H,29,31)(H,30,32)/b18-17+